5,6-difluoro-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole

C14H8F2N6 — CID 166873259

IUPAC5,6-difluoro-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole
SMILESFc1cc2nc(-c3ccc(-c4nn[nH]n4)cc3)[nH]c2cc1F
InChIInChI=1S/C14H8F2N6/c15-9-5-11-12(6-10(9)16)18-13(17-11)7-1-3-8(4-2-7)14-19-21-22-20-14/h1-6H,(H,17,18)(H,19,20,21,22)
InChIKeyGBOZSQNWWGKKAZ-UHFFFAOYSA-N
MW298.26 g/mol
LogP2.69
Rot. Bonds2

About 5,6-difluoro-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole

5,6-difluoro-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole (PubChem CID 166873259) has the molecular formula C14H8F2N6 and a molecular weight of 298.26 g/mol. Its IUPAC name is 5,6-difluoro-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name5,6-difluoro-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole
PubChem CID166873259
Molecular FormulaC14H8F2N6
Molecular Weight298.26 g/mol
Exact Mass298.08
IUPAC Name5,6-difluoro-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole
SMILESFc1cc2nc(-c3ccc(-c4nn[nH]n4)cc3)[nH]c2cc1F
InChIInChI=1S/C14H8F2N6/c15-9-5-11-12(6-10(9)16)18-13(17-11)7-1-3-8(4-2-7)14-19-21-22-20-14/h1-6H,(H,17,18)(H,19,20,21,22)
InChIKeyGBOZSQNWWGKKAZ-UHFFFAOYSA-N
XLogP2.69
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5,6-difluoro-1H-benzimidazol-2-yl)phenol
CID 135927902
5,6-difluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole
CID 166873941
5-(3,4-difluorophenyl)-2H-tetrazole
CID 43658630
5,6-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 166873230
2-(2,3-dihydro-1H-inden-5-yl)-5,6-difluoro-1H-benzimidazole
CID 60978770
2-amino-5-(5,6-difluoro-1H-benzimidazol-2-yl)phenol
CID 54924199
2-(3-bromo-4-chlorophenyl)-5,6-difluoro-1H-benzimidazole
CID 107989360
2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole
CID 861438
5-(5,6-difluoro-1H-benzimidazol-2-yl)pyridin-3-ol
CID 63852563
2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole
CID 158790051
5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole
CID 4915231
4-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazole
CID 75415684

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole?
The IUPAC name of 5,6-difluoro-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole (CID 166873259) is 5,6-difluoro-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole.
What is the SMILES notation for 5,6-difluoro-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole?
The canonical SMILES for 5,6-difluoro-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole is Fc1cc2nc(-c3ccc(-c4nn[nH]n4)cc3)[nH]c2cc1F.
What is the InChIKey of 5,6-difluoro-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole?
The InChIKey is GBOZSQNWWGKKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N6/c15-9-5-11-12(6-10(9)16)18-13(17-11)7-1-3-8(4-2-7)14-19-21-22-20-14/h1-6H,(H,17,18)(H,19,20,21,22).
What are the key properties of 5,6-difluoro-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole?
5,6-difluoro-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole has a molecular weight of 298.26 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole is sourced from PubChem (CID 166873259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).